(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H16N2O8 MolecularWeight: 460.39244

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O8/c27-22-19-3-1-2-4-20(19)23(28)25(22)17-7-5-14(6-8-17)24(29)33-12-16-10-18(26(30)31)9-15-11-32-13-34-21(15)16/h1-10H,11-13H2